SCHEMBL18170860

SCHEMBL18170860

COc1ccccc1Nc1ccc(NC(=O)c2ccc(NCCN3CCCCC3)cc2)c2c1CNC2=O

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.51
HPGD P15428 1/20 0.46
MCHR1 Q99705 3/20 0.42
ACHE P22303 1/20 0.42
ALDH1A1 P00352 6/20 0.42
MAPT P10636 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 1/20 0.41
CNR2 P34972 1/20 0.41
TNIK Q9UKE5 1/20 0.40
GAA P10253 1/20 0.40
BCL3 P20749 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18170658 0.99 SMN1; SMN2 (0.51) SMN1; SMN2HPGDMCHR1ACHEALDH1A1
SCHEMBL18170817 0.95 SMN1; SMN2 (0.49) SMN1; SMN2HPGDMCHR1ALDH1A1MAPT
SCHEMBL18170683 0.94 SMN1; SMN2 (0.50) SMN1; SMN2HPGDMCHR1ALDH1A1MAPT
SCHEMBL18170577 0.90 KDR (0.42) SMN1; SMN2MAPTCNR2TNIKMEN1
SCHEMBL18170719 0.89 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMCHR1ACHEALDH1A1
SCHEMBL18170865 0.89 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMCHR1ACHEALDH1A1
SCHEMBL18170854 0.89 KDR (0.43) SMN1; SMN2ALDH1A1MAPTCNR2TNIK
SCHEMBL18170557 0.88 SMN1; SMN2 (0.47) SMN1; SMN2HPGDMCHR1ALDH1A1
SCHEMBL18170469 0.88 TNIK (0.42) SMN1; SMN2HPGDALDH1A1MAPTCNR2
SCHEMBL18170541 0.88 KDR (0.45) ALDH1A1TNIKMEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US claimed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US claimed
US-9856216-B2 Compounds as TNIK, IKKε and TBK1 inhibitors and pharmaceutical composition comprising same GREEN CROSS CORPORATION (KR) 2018-01-02 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME GREEN CROSS CORPORATION (KR) 2016-10-27 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20160311772-A1 COMPOUNDS AS TNIK, IKKEPSILON AND TBK1 INHIBITORS AND PHARMACEUTICAL COMPOSITION COMPRISING SAME TNIK, TNK1, NFKBIA SMN1; SMN2 878/4885HPGD 4720/4885MCHR1 4667/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.